Basic information
- Standard SMILES
NC1CCN(C[C@@]2(O)Cn3c(=O)ccc4ncc(F)c2c43)CC1- InChIKey
VCJFVQOMXIRABC-MRXNPFEDSA-N- Molecular formula
- C16H19FN4O2
- Average molar mass
- 318.35 g/mol
Names & identifiers
- Preferred name
- (4R)-4-[(4-amino-1-piperidinyl)methyl]-3-fluoro-4-hydroxy-4,5-dihydro-7H-pyrrolo[3,2,1-de]-1,5-naphthyridin-7-one
- IUPAC
- (3R)-3-[(4-aminopiperidin-1-yl)methyl]-5-fluoro-3-hydroxy-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one
Names & synonyms
SCHEMBL2768520VCJFVQOMXIRABC-MRXNPFEDSA-N(4R)-4-[(4-amino-1-piperidinyl)methyl]-3-fluoro-4-hydroxy-4,5-dihydro-7H-pyrrolo[3,2,1-de]-1,5-naphthyridin-7-one
Database identifiers
- PubChem CID
- 23633344
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 82.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 522
Related reactions
2 records
Compound notes
Loading…